N-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-pyridinyl]-5-methyloxolane-2-carboxamide

C16H21F2N3O2 — CID 166160325

IUPACN-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-pyridinyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccnc(CN3CCC(F)(F)C3)c2)O1
InChIInChI=1S/C16H21F2N3O2/c1-11-2-3-14(23-11)15(22)20-12-4-6-19-13(8-12)9-21-7-5-16(17,18)10-21/h4,6,8,11,14H,2-3,5,7,9-10H2,1H3,(H,19,20,22)
InChIKeyVAEWEIGRXJLZHB-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.43
Rot. Bonds4

About N-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-pyridinyl]-5-methyloxolane-2-carboxamide

N-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-pyridinyl]-5-methyloxolane-2-carboxamide (PubChem CID 166160325) has the molecular formula C16H21F2N3O2 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-pyridinyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-pyridinyl]-5-methyloxolane-2-carboxamide
PubChem CID166160325
Molecular FormulaC16H21F2N3O2
Molecular Weight325.36 g/mol
Exact Mass325.16
IUPAC NameN-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-pyridinyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccnc(CN3CCC(F)(F)C3)c2)O1
InChIInChI=1S/C16H21F2N3O2/c1-11-2-3-14(23-11)15(22)20-12-4-6-19-13(8-12)9-21-7-5-16(17,18)10-21/h4,6,8,11,14H,2-3,5,7,9-10H2,1H3,(H,19,20,22)
InChIKeyVAEWEIGRXJLZHB-UHFFFAOYSA-N
XLogP2.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-N-[2-(hydroxymethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 167211610
5-methyl-N-[2-(methylaminomethyl)-4-pyridinyl]oxolane-2-carboxamide
CID 166160576
5-methyl-N-[2-(6-methyl-1,6-diazaspiro[3.3]heptane-1-carbonyl)-4-pyridinyl]oxolane-2-carboxamide
CID 166159393
N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 167211525
5-methyl-N-[2-[methyl-[2-(methylamino)acetyl]amino]-4-pyridinyl]oxolane-2-carboxamide
CID 166160891
N-[2-(3-hydroxy-2-oxopyrrolidin-1-yl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166161060
N-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166160944
N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177358074
N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159304
(2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166159129
1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178083049
3-[(2,3-difluorophenoxy)methyl]-3-fluoro-1-methylazetidine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159908

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-pyridinyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-pyridinyl]-5-methyloxolane-2-carboxamide (CID 166160325) is N-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-pyridinyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-pyridinyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-pyridinyl]-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)Nc2ccnc(CN3CCC(F)(F)C3)c2)O1.
What is the InChIKey of N-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-pyridinyl]-5-methyloxolane-2-carboxamide?
The InChIKey is VAEWEIGRXJLZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O2/c1-11-2-3-14(23-11)15(22)20-12-4-6-19-13(8-12)9-21-7-5-16(17,18)10-21/h4,6,8,11,14H,2-3,5,7,9-10H2,1H3,(H,19,20,22).
What are the key properties of N-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-pyridinyl]-5-methyloxolane-2-carboxamide?
N-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-pyridinyl]-5-methyloxolane-2-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-pyridinyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 166160325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).